Table 1.
Structural and kinetic properties for various states of CI2
| State | 〈Rg〉* (Å) | 〈Etot〉† | 〈drms〉‡ (Å) | 〈SASA〉§ (Å2) | Pfold |
|---|---|---|---|---|---|
| TSE | 13.1 ± 0.4 | −96 ± 16 | 5.4 ± 0.8 | 6,500 ± 160 | 0.59 |
| α-disrupted | 16.9 ± 1.6 | −133 ± 11 | 11.6 ± 2.6 | 6,700 ± 120 | 0.32 |
| β-disrupted | 13.8 ± 0.4 | −130 ± 19 | 5.9 ± 0.3 | 7,100 ± 300 | 0.02 |
| Native | 11.0 | −804 | 0 | 4,500 | — |
Radius of gyration.
Total energy (native and non-native).
rms deviation of the backbone from the native state.
Solvent accessible surface area, calculated with a probe sphere of radius 1.4 Å using naccess (41).